SIMILAR PATTERNS OF AMINO ACIDS FOR 1LII_A_ADNA699_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ct9 ASPARAGINE
SYNTHETASE B

(Escherichia
coli) 		PF00733
(Asn_synthase)
PF13537
(GATase_7) 		5 ASN A  79
ILE A  77
LEU A 105
GLY A 119
LEU A  83
 None
 1.00A 1liiA-1ct9A:
undetectable		 1liiA-1ct9A:
21.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dgm ADENOSINE KINASE

(Toxoplasma
gondii) 		PF00294
(PfkB) 		8 ASN A  20
ILE A  22
ASP A  24
GLY A  68
GLY A  69
ASN A  73
LEU A 142
ASP A 318
 ADN  A 375 ( 3.8A)
ADN  A 375 ( 4.3A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
None
ADN  A 375 ( 3.1A)
 0.66A 1liiA-1dgmA:
49.0		 1liiA-1dgmA:
98.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dgm ADENOSINE KINASE

(Toxoplasma
gondii) 		PF00294
(PfkB) 		10 ILE A  22
ASP A  24
LEU A  46
GLY A  68
GLY A  69
ASN A  73
CYH A 127
THR A 140
LEU A 142
ASP A 318
 ADN  A 375 ( 4.3A)
ADN  A 375 (-2.9A)
None
ADN  A 375 ( 4.5A)
ADN  A 375 (-2.9A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.2A)
ADN  A 375 ( 4.9A)
None
ADN  A 375 ( 3.1A)
 0.59A 1liiA-1dgmA:
49.0		 1liiA-1dgmA:
98.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dgm ADENOSINE KINASE

(Toxoplasma
gondii) 		PF00294
(PfkB) 		7 ILE A  22
LEU A  46
GLY A  68
ASN A  73
CYH A 127
THR A 140
LEU A 142
 ADN  A 375 ( 4.3A)
None
ADN  A 375 ( 4.5A)
ADN  A 375 ( 4.9A)
ADN  A 375 ( 4.2A)
ADN  A 375 ( 4.9A)
None
 1.13A 1liiA-1dgmA:
49.0		 1liiA-1dgmA:
98.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gmx THIOSULFATE
SULFURTRANSFERASE
GLPE

(Escherichia
coli) 		PF00581
(Rhodanese) 		5 ILE A  89
LEU A  16
GLY A  91
GLY A  92
LEU A  23
 None
 1.03A 1liiA-1gmxA:
undetectable		 1liiA-1gmxA:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jj7 PEPTIDE TRANSPORTER
TAP1

(Homo sapiens) 		PF00005
(ABC_tran) 		5 LEU A 697
GLY A 724
GLY A 723
THR A 534
LEU A 536
 None
 1.02A 1liiA-1jj7A:
undetectable		 1liiA-1jj7A:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jp4 3'(2'),5'-BISPHOSPHA
TE NUCLEOTIDASE

(Rattus
norvegicus) 		PF00459
(Inositol_P) 		5 ASP A 120
LEU A 270
GLY A 220
THR A 248
LEU A 262
 MG  A 701 (-3.1A)
None
AMP  A 601 (-3.5A)
None
None
 1.00A 1liiA-1jp4A:
undetectable		 1liiA-1jp4A:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1li7 CYSTEINYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF01406
(tRNA-synt_1e)
PF09190
(DALR_2) 		5 LEU A   8
GLY A 227
GLY A 226
THR A   7
LEU A 155
 None
 1.07A 1liiA-1li7A:
2.7		 1liiA-1li7A:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ntg TYROSYL-TRNA
SYNTHETASE

(Homo sapiens) 		PF01588
(tRNA_bind) 		5 ILE A 139
GLY A 166
GLY A 167
CYH A 143
LEU A  97
 None
 1.00A 1liiA-1ntgA:
undetectable		 1liiA-1ntgA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rk2 RIBOKINASE

(Escherichia
coli) 		PF00294
(PfkB) 		5 ASP A  16
GLY A  41
GLY A  42
ASN A  46
ASP A 255
 RIB  A 311 (-2.8A)
RIB  A 311 (-3.3A)
RIB  A 311 (-3.4A)
RIB  A 311 (-3.3A)
RIB  A 311 (-3.1A)
 0.30A 1liiA-1rk2A:
33.4		 1liiA-1rk2A:
26.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tz6 PUTATIVE SUGAR
KINASE

(Salmonella
enterica) 		PF00294
(PfkB) 		5 ASP A  16
GLY A  30
GLY A  31
ASN A  35
ASP A 252
 AIS  A 402 (-2.5A)
AIS  A 402 ( 4.2A)
AIS  A 402 (-3.8A)
AIS  A 402 (-3.9A)
AIS  A 402 (-3.0A)
 0.38A 1liiA-1tz6A:
27.8		 1liiA-1tz6A:
27.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v19 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermus
thermophilus) 		PF00294
(PfkB) 		5 LEU A 170
GLY A  33
GLY A  34
ASN A  38
ASP A 251
 None
 0.85A 1liiA-1v19A:
32.1		 1liiA-1v19A:
27.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vm7 RIBOKINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 ASP A  14
GLY A  39
GLY A  40
ASN A  44
ASP A 246
 None
 0.61A 1liiA-1vm7A:
29.5		 1liiA-1vm7A:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zfj INOSINE
MONOPHOSPHATE
DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 LEU A  44
GLY A 359
GLY A 360
THR A  36
LEU A  38
 None
 0.91A 1liiA-1zfjA:
2.1		 1liiA-1zfjA:
23.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2abq FRUCTOSE 1-PHOSPHATE
KINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  36
GLY A  37
ASN A  41
ASP A 249
 None
 0.42A 1liiA-2abqA:
25.6		 1liiA-2abqA:
26.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		6 LEU A 171
GLY A  32
GLY A  33
ASN A  37
LEU A 139
ASP A 280
 None
 1.04A 1liiA-2afbA:
27.5		 1liiA-2afbA:
25.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ajr SUGAR KINASE, PFKB
FAMILY

(Thermotoga
maritima) 		PF00294
(PfkB) 		6 ASN A   8
ASP A  12
GLY A  39
GLY A  40
ASN A  44
ASP A 261
 None
ACT  A 321 (-3.1A)
ACT  A 321 ( 4.3A)
ACT  A 321 (-3.9A)
ACT  A 321 (-3.9A)
None
 0.98A 1liiA-2ajrA:
24.9		 1liiA-2ajrA:
24.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		5 ASP A  17
GLY A  42
GLY A  43
ASN A  47
ASP A 247
 ADN  A1301 (-2.8A)
ADN  A1301 (-3.4A)
ADN  A1301 (-3.3A)
ADN  A1301 (-3.4A)
ADN  A1301 (-2.9A)
 0.30A 1liiA-2c49A:
31.5		 1liiA-2c49A:
25.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f02 TAGATOSE-6-PHOSPHATE
KINASE

(Enterococcus
faecalis) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  36
GLY A  37
ASN A  41
ASP A 255
 None
None
None
None
ATP  A 411 (-4.1A)
 0.87A 1liiA-2f02A:
22.0		 1liiA-2f02A:
25.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f5v PYRANOSE 2-OXIDASE

(Peniophora sp.
SG) 		PF05199
(GMC_oxred_C) 		5 ILE A  57
GLY A 581
GLY A 582
ASN A 585
THR A  60
 FAD  A1625 (-4.0A)
None
FAD  A1625 ( 3.9A)
None
None
 0.97A 1liiA-2f5vA:
2.4		 1liiA-2f5vA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fko 173AA LONG
HYPOTHETICAL
FERRIPYOCHELIN
BINDING PROTEIN

(Pyrococcus
horikoshii) 		PF00132
(Hexapep) 		5 ASN A  83
ILE A  99
GLY A  98
GLY A  81
ASN A 155
 None
 0.99A 1liiA-2fkoA:
undetectable		 1liiA-2fkoA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gkp HYPOTHETICAL PROTEIN
NMB0488

(Neisseria
meningitidis) 		PF07262
(CdiI) 		5 ILE A 152
LEU A 115
GLY A 153
GLY A  52
LEU A 145
 None
 1.04A 1liiA-2gkpA:
undetectable		 1liiA-2gkpA:
18.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i6b ADENOSINE KINASE

(Homo sapiens) 		PF00294
(PfkB) 		8 ASN A  14
ASP A  18
GLY A  63
GLY A  64
ASN A  68
CYH A 123
LEU A 138
ASP A 300
 89I  A 500 (-4.0A)
None
None
89I  A 500 (-3.5A)
None
None
89I  A 500 (-4.4A)
None
 0.56A 1liiA-2i6bA:
39.5		 1liiA-2i6bA:
32.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i6b ADENOSINE KINASE

(Homo sapiens) 		PF00294
(PfkB) 		8 ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
CYH A 123
LEU A 138
ASP A 300
 None
89I  A 500 ( 4.8A)
None
89I  A 500 (-3.5A)
None
None
89I  A 500 (-4.4A)
None
 0.57A 1liiA-2i6bA:
39.5		 1liiA-2i6bA:
32.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i6d RNA
METHYLTRANSFERASE,
TRMH FAMILY

(Porphyromonas
gingivalis) 		PF00588
(SpoU_methylase) 		5 LEU A 166
GLY A 134
GLY A 107
THR A 162
LEU A 104
 None
 1.01A 1liiA-2i6dA:
2.2		 1liiA-2i6dA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j4g HYALURONOGLUCOSAMINI
DASE

(Bacteroides
thetaiotaomicron) 		PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		5 ILE A  59
GLY A  29
GLY A  30
THR A 100
LEU A 104
 None
 1.06A 1liiA-2j4gA:
2.0		 1liiA-2j4gA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jg5 FRUCTOSE 1-PHOSPHATE
KINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  36
GLY A  37
ASN A  41
ASP A 249
 None
 0.68A 1liiA-2jg5A:
24.8		 1liiA-2jg5A:
24.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nwh CARBOHYDRATE KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		5 ASP A  13
GLY A  37
GLY A  38
ASN A  42
ASP A 253
 None
None
CL  A 403 (-3.5A)
None
None
 0.96A 1liiA-2nwhA:
25.0		 1liiA-2nwhA:
26.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o78 PUTATIVE HISTIDINE
AMMONIA-LYASE

(Rhodobacter
sphaeroides) 		PF00221
(Lyase_aromatic) 		5 LEU A 191
GLY A 120
THR A 125
LEU A 193
ASP A 332
 None
 1.04A 1liiA-2o78A:
undetectable		 1liiA-2o78A:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p39 FIBROBLAST GROWTH
FACTOR 23

(Homo sapiens) 		PF00167
(FGF) 		5 ILE A  55
LEU A  42
GLY A  59
GLY A 104
LEU A  73
 None
 1.07A 1liiA-2p39A:
undetectable		 1liiA-2p39A:
16.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p50 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 ILE A  23
LEU A  51
GLY A  26
GLY A 376
LEU A   4
 None
 0.88A 1liiA-2p50A:
2.7		 1liiA-2p50A:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pcn S-ADENOSYLMETHIONINE
:2-DEMETHYLMENAQUINO
NE METHYLTRANSFERASE

(Geobacillus
kaustophilus) 		PF03737
(RraA-like) 		5 ILE A 102
LEU A  52
GLY A 103
GLY A  27
LEU A  74
 None
 1.04A 1liiA-2pcnA:
undetectable		 1liiA-2pcnA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pyx TRYPTOPHAN
HALOGENASE

(Shewanella
frigidimarina) 		PF04820
(Trp_halogenase) 		5 ILE A 349
LEU A  25
GLY A 350
THR A  21
LEU A 374
 None
None
TLA  A 527 (-3.3A)
None
None
 0.99A 1liiA-2pyxA:
3.9		 1liiA-2pyxA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qcv PUTATIVE
5-DEHYDRO-2-DEOXYGLU
CONOKINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		5 ASP A  22
GLY A  43
GLY A  44
ASN A  48
ASP A 272
 None
None
None
None
PGE  A 332 (-3.6A)
 0.35A 1liiA-2qcvA:
27.7		 1liiA-2qcvA:
25.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xsg CCMAN5

(Cellulosimicrobium
cellulans) 		PF07971
(Glyco_hydro_92) 		5 ASP A 660
GLY A  71
GLY A  72
ASN A  49
THR A 626
 None
B3P  A1773 (-3.3A)
B3P  A1773 (-4.1A)
None
None
 1.06A 1liiA-2xsgA:
undetectable		 1liiA-2xsgA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xyu EPHRIN TYPE-A
RECEPTOR 4,

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		5 ILE A 730
LEU A 711
GLY A 731
GLY A 729
LEU A 707
 None
 1.02A 1liiA-2xyuA:
undetectable		 1liiA-2xyuA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z84 UFM1-SPECIFIC
PROTEASE 1

(Mus musculus) 		PF07910
(Peptidase_C78) 		5 ASP A 152
LEU A 127
GLY A 149
GLY A 148
LEU A 121
 None
 1.05A 1liiA-2z84A:
undetectable		 1liiA-2z84A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z87 CHONDROITIN SYNTHASE

(Escherichia
coli) 		PF00535
(Glycos_transf_2) 		5 ILE A 237
ASP A 239
GLY A 336
GLY A 335
LEU A 227
 None
UD2  A 683 (-3.4A)
UD2  A 683 (-3.5A)
UD2  A 683 ( 4.8A)
None
 0.83A 1liiA-2z87A:
undetectable		 1liiA-2z87A:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  47
GLY A  48
ASN A  52
ASP A 253
 AMP  A 501 (-2.9A)
AMP  A 501 ( 3.7A)
AMP  A 501 (-3.3A)
AMP  A 501 (-3.3A)
AMP  A 501 (-2.8A)
 0.43A 1liiA-3b1rA:
29.4		 1liiA-3b1rA:
25.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3czm L-LACTATE
DEHYDROGENASE

(Toxoplasma
gondii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASP A 143
GLY A 288
GLY A 193
ASN A 165
ASP A 168
 None
 1.04A 1liiA-3czmA:
5.8		 1liiA-3czmA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459

(Pyrococcus
horikoshii) 		PF00294
(PfkB) 		6 ASP A  13
LEU A 167
GLY A  33
GLY A  34
ASN A  38
ASP A 247
 None
 0.75A 1liiA-3ewmA:
29.2		 1liiA-3ewmA:
26.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		5 ASP A  25
GLY A  50
GLY A  51
ASN A  55
ASP A 242
 RIB  A 305 (-2.8A)
RIB  A 305 ( 3.7A)
RIB  A 305 (-3.1A)
RIB  A 305 (-3.2A)
RIB  A 305 (-2.9A)
 0.34A 1liiA-3go7A:
29.6		 1liiA-3go7A:
26.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gue UTP-GLUCOSE-1-PHOSPH
ATE
URIDYLYLTRANSFERASE
2

(Trypanosoma
brucei) 		PF01704
(UDPGP) 		5 LEU A 143
GLY A  84
GLY A  83
THR A 139
LEU A 107
 None
UPG  A 484 (-3.3A)
UPG  A 484 (-3.0A)
None
None
 1.07A 1liiA-3gueA:
undetectable		 1liiA-3gueA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii) 		PF00294
(PfkB) 		6 ASP A  33
LEU A 188
GLY A  54
GLY A  55
ASN A  59
ASP A 275
 None
 0.80A 1liiA-3hj6A:
28.8		 1liiA-3hj6A:
26.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  37
GLY A  38
ASN A  42
ASP A 232
 None
 0.86A 1liiA-3i3yA:
26.3		 1liiA-3i3yA:
24.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  37
GLY A  38
ASN A  42
THR A 107
 None
 0.68A 1liiA-3i3yA:
26.3		 1liiA-3i3yA:
24.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ihk THIAMIN
PYROPHOSPHOKINASE

(Streptococcus
mutans) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		5 LEU A  80
GLY A  10
GLY A  96
THR A  76
LEU A   6
 None
PO4  A 226 ( 4.0A)
None
None
None
 1.00A 1liiA-3ihkA:
undetectable		 1liiA-3ihkA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3in1 UNCHARACTERIZED
SUGAR KINASE YDJH

(Escherichia
coli) 		PF00294
(PfkB) 		6 ILE A  13
ASP A  15
GLY A  41
GLY A  42
ASN A  46
ASP A 260
 None
 0.80A 1liiA-3in1A:
30.2		 1liiA-3in1A:
26.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kd6 CARBOHYDRATE KINASE,
PFKB FAMILY

(Chlorobaculum
tepidum) 		PF00294
(PfkB) 		5 ASP A  12
LEU A 101
GLY A  26
GLY A  27
ASP A 237
 AMP  A 509 (-2.8A)
None
AMP  A 509 ( 3.8A)
AMP  A 509 (-3.4A)
AMP  A 509 ( 3.3A)
 1.05A 1liiA-3kd6A:
25.8		 1liiA-3kd6A:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kew DHHA1 DOMAIN PROTEIN

(Clostridium
perfringens) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		6 ILE A 185
LEU A 204
GLY A 187
THR A 201
LEU A  97
ASP A 108
 None
 1.42A 1liiA-3kewA:
undetectable		 1liiA-3kewA:
20.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3loo ANOPHELES GAMBIAE
ADENOSINE KINASE

(Anopheles
gambiae) 		PF00294
(PfkB) 		10 ASN A  14
ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
CYH A 122
LEU A 137
ASN A 296
ASP A 300
 B4P  A 349 ( 4.0A)
B4P  A 349 (-2.8A)
None
B4P  A 349 ( 3.8A)
B4P  A 349 (-3.5A)
B4P  A 349 (-3.6A)
B4P  A 349 (-3.6A)
None
B4P  A 349 (-3.6A)
B4P  A 349 (-3.4A)
 0.54A 1liiA-3looA:
45.3		 1liiA-3looA:
34.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mcu DIPICOLINATE
SYNTHASE, B CHAIN

(Bacillus cereus) 		PF02441
(Flavoprotein) 		5 ILE A   8
LEU A 179
GLY A   9
CYH A  87
LEU A   3
 None
 1.00A 1liiA-3mcuA:
2.3		 1liiA-3mcuA:
19.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3otx ADENOSINE KINASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00294
(PfkB) 		9 ASN A  13
ASP A  17
LEU A  39
GLY A  62
GLY A  63
ASN A  67
CYH A 123
LEU A 138
ASP A 299
 AP5  A 346 (-4.1A)
AP5  A 346 (-2.8A)
None
AP5  A 346 (-3.6A)
AP5  A 346 (-3.5A)
AP5  A 346 (-3.4A)
AP5  A 346 (-3.7A)
None
AP5  A 346 ( 3.2A)
 0.35A 1liiA-3otxA:
45.1		 1liiA-3otxA:
34.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ozy PUTATIVE MANDELATE
RACEMASE

(Bordetella
bronchiseptica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 ILE A 126
ASP A 116
LEU A 288
GLY A 360
GLY A 119
LEU A 130
 None
 1.49A 1liiA-3ozyA:
undetectable		 1liiA-3ozyA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		5 ASP A  19
GLY A  40
GLY A  41
ASN A  45
ASP A 264
 None
 0.34A 1liiA-3pl2A:
31.6		 1liiA-3pl2A:
25.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q1y LIN2199 PROTEIN

(Listeria
innocua) 		PF00294
(PfkB) 		6 ASN A   8
ASP A  12
GLY A  37
GLY A  38
CYH A  92
ASP A 251
 None
 0.94A 1liiA-3q1yA:
25.9		 1liiA-3q1yA:
25.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ry7 RIBOKINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		5 ASP A  14
GLY A  40
GLY A  41
ASN A  45
ASP A 254
 GOL  A 401 (-3.1A)
GOL  A 401 ( 3.7A)
GOL  A 401 (-3.8A)
GOL  A 401 (-3.9A)
None
 0.55A 1liiA-3ry7A:
27.9		 1liiA-3ry7A:
24.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u4c BACILYSIN
BIOSYNTHESIS
OXIDOREDUCTASE YWFH

(Bacillus
subtilis) 		PF13561
(adh_short_C2) 		6 ILE A  15
LEU A 232
GLY A  14
GLY A  16
THR A 229
LEU A 182
 NDP  A 262 (-3.9A)
None
NDP  A 262 ( 3.7A)
None
None
None
 1.35A 1liiA-3u4cA:
7.7		 1liiA-3u4cA:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		10 ASN A  11
ILE A  13
ASP A  15
LEU A  37
GLY A  58
GLY A  59
ASN A  63
THR A 129
LEU A 131
ASP A 278
 ADN  A 353 (-3.7A)
ADN  A 353 (-3.7A)
ADN  A 353 (-2.8A)
None
ADN  A 353 (-3.3A)
ADN  A 353 (-3.2A)
ADN  A 353 (-3.4A)
ADN  A 353 (-3.3A)
None
ADN  A 353 (-3.3A)
 0.47A 1liiA-3uboA:
41.4		 1liiA-3uboA:
28.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		6 ASP A  15
LEU A 131
GLY A  58
ASN A  63
THR A 129
ASP A 278
 ADN  A 353 (-2.8A)
None
ADN  A 353 (-3.3A)
ADN  A 353 (-3.4A)
ADN  A 353 (-3.3A)
ADN  A 353 (-3.3A)
 1.33A 1liiA-3uboA:
41.4		 1liiA-3uboA:
28.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		6 ILE A  13
LEU A  37
GLY A  59
ASN A  63
THR A 129
LEU A 131
 ADN  A 353 (-3.7A)
None
ADN  A 353 (-3.2A)
ADN  A 353 (-3.4A)
ADN  A 353 (-3.3A)
None
 1.30A 1liiA-3uboA:
41.4		 1liiA-3uboA:
28.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uen DNA TOPOISOMERASE
2-BINDING PROTEIN 1

(Homo sapiens) 		PF12738
(PTCB-BRCT) 		5 ASP A 621
LEU A 598
GLY A 658
THR A 614
LEU A 633
 None
SCN  A 801 ( 3.9A)
None
SCN  A 801 (-3.9A)
None
 1.06A 1liiA-3uenA:
undetectable		 1liiA-3uenA:
20.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		10 ASN A  14
ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
THR A 136
LEU A 138
ASN A 298
ASP A 302
 ADN  A 401 ( 4.0A)
ADN  A 401 (-2.7A)
None
ADN  A 401 ( 3.8A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.7A)
ADN  A 401 (-3.1A)
ADN  A 401 (-4.9A)
ADN  A 401 (-3.7A)
ADN  A 401 (-2.9A)
 0.32A 1liiA-3vasA:
46.4		 1liiA-3vasA:
30.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		5 ILE X 450
ASP X 451
LEU X 559
GLY X 448
LEU X 558
 None
 1.01A 1liiA-3zyyX:
undetectable		 1liiA-3zyyX:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4af1 PEPTIDE CHAIN
RELEASE FACTOR
SUBUNIT 1

(Halobacterium
salinarum) 		PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3) 		5 LEU A 312
GLY A 404
GLY A 405
THR A 308
LEU A 320
 None
 1.07A 1liiA-4af1A:
undetectable		 1liiA-4af1A:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c1n IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF14574
(DUF4445) 		5 ILE I 450
LEU I 559
GLY I 448
GLY I 446
LEU I 558
 None
 0.98A 1liiA-4c1nI:
undetectable		 1liiA-4c1nI:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4crn ERF1 IN
RIBOSOME-BOUND
ERF1-ERF3-GDPNP
COMPLEX

(Saccharomyces
cerevisiae) 		PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3) 		6 ILE X 404
LEU X 309
GLY X 402
GLY X 403
THR X 305
LEU X 317
 None
 1.38A 1liiA-4crnX:
undetectable		 1liiA-4crnX:
24.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dyk AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 ILE A  34
LEU A  64
GLY A  37
GLY A 410
LEU A  12
 None
 0.89A 1liiA-4dykA:
2.3		 1liiA-4dykA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		10 ASN A   9
ILE A  11
ASP A  13
LEU A  35
GLY A  56
GLY A  57
ASN A  61
THR A 127
LEU A 129
ASP A 276
 ADN  A 500 (-3.8A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
None
ADN  A 500 (-3.5A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.5A)
ADN  A 500 (-3.0A)
None
ADN  A 500 (-2.8A)
 0.35A 1liiA-4e3aA:
41.5		 1liiA-4e3aA:
27.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		6 ILE A  11
LEU A  35
GLY A  57
ASN A  61
THR A 127
LEU A 129
 ADN  A 500 (-3.6A)
None
ADN  A 500 (-3.7A)
ADN  A 500 (-3.5A)
ADN  A 500 (-3.0A)
None
 1.29A 1liiA-4e3aA:
41.5		 1liiA-4e3aA:
27.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fwt ELONGATION FACTOR
TS, ELONGATION
FACTOR TU, LINKER, Q
BETA REPLICASE

(Escherichia
coli;
Escherichia
virus Qbeta) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
PF03431
(RNA_replicase_B) 		5 ILE A 930
LEU A 985
GLY A 929
GLY A 931
LEU A 993
 None
 0.98A 1liiA-4fwtA:
undetectable		 1liiA-4fwtA:
14.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gm6 PFKB FAMILY
CARBOHYDRATE KINASE

(Listeria grayi) 		PF00294
(PfkB) 		5 LEU A 172
GLY A  33
GLY A  34
ASN A  38
ASP A 270
 None
GOL  A 401 ( 4.1A)
GOL  A 401 (-3.7A)
GOL  A 401 (-4.4A)
GOL  A 401 (-3.0A)
 0.85A 1liiA-4gm6A:
25.8		 1liiA-4gm6A:
24.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hwv PECTATE LYASE/AMB
ALLERGEN

(Acidovorax
citrulli) 		PF00544
(Pec_lyase_C) 		5 ILE A  97
LEU A 103
GLY A 185
ASN A 213
LEU A  67
 None
 1.05A 1liiA-4hwvA:
undetectable		 1liiA-4hwvA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hxe PUTATIVE
UNCHARACTERIZED
PROTEIN PH0594

(Pyrococcus
horikoshii) 		PF00326
(Peptidase_S9)
PF07676
(PD40) 		6 ASN B 521
ILE B 512
LEU B 435
GLY B 513
THR B 433
LEU B 525
 None
 1.19A 1liiA-4hxeB:
3.9		 1liiA-4hxeB:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jb3 HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13419
(HAD_2) 		5 ILE A  16
ASP A 172
LEU A  37
GLY A  11
GLY A  10
 None
NA  A 301 (-2.8A)
None
NA  A 301 ( 4.0A)
NA  A 301 (-4.4A)
 0.91A 1liiA-4jb3A:
undetectable		 1liiA-4jb3A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m0v EXONUCLEASE SUBUNIT
SBCD

(Escherichia
coli) 		PF00149
(Metallophos)
PF12320
(SbcD_C) 		6 ILE A 229
LEU A 185
GLY A 231
GLY A 230
THR A 187
LEU A 220
 None
 1.47A 1liiA-4m0vA:
undetectable		 1liiA-4m0vA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m7e PROTEIN
BRASSINOSTEROID
INSENSITIVE 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF12799
(LRR_4)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 ASN A 183
ILE A 185
LEU A 141
ASN A 232
LEU A 160
 None
 1.05A 1liiA-4m7eA:
undetectable		 1liiA-4m7eA:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pvv ADENOSINE KINASE

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		5 ASP A  12
GLY A  47
GLY A  48
ASN A  52
ASP A 257
 HO4  A 401 (-2.4A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.5A)
HO4  A 401 (-3.8A)
HO4  A 401 (-3.3A)
 0.46A 1liiA-4pvvA:
29.1		 1liiA-4pvvA:
26.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s13 FERULIC ACID
DECARBOXYLASE 1

(Saccharomyces
cerevisiae) 		PF01977
(UbiD) 		5 ILE A  84
GLY A  82
THR A 328
LEU A 329
ASP A  22
 None
 0.87A 1liiA-4s13A:
undetectable		 1liiA-4s13A:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		5 ASP A  11
GLY A  29
GLY A  30
ASN A  34
ASP A 249
 None
None
None
None
ANP  A 401 ( 4.3A)
 0.57A 1liiA-4wjmA:
27.3		 1liiA-4wjmA:
24.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		5 LEU A 162
GLY A  29
GLY A  30
ASN A  34
ASP A 249
 None
None
None
None
ANP  A 401 ( 4.3A)
 0.89A 1liiA-4wjmA:
27.3		 1liiA-4wjmA:
24.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x8f RIBOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		5 ASP A  13
GLY A  38
GLY A  39
ASN A  43
ASP A 252
 None
 0.55A 1liiA-4x8fA:
26.6		 1liiA-4x8fA:
24.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ztk CELL DIVISION
PROTEIN
FTSI/PENICILLIN
BINDING PROTEIN 2

(Legionella
pneumophila) 		PF00905
(Transpeptidase) 		5 ILE A 402
GLY A 399
GLY A 502
LEU A 475
ASN A 456
 None
 1.04A 1liiA-4ztkA:
undetectable		 1liiA-4ztkA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
GAMMA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 ILE B 415
GLY B 413
GLY B 416
LEU B 178
ASN B 107
 None
 0.96A 1liiA-5a8rB:
undetectable		 1liiA-5a8rB:
25.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c41 RIBOKINASE

(Homo sapiens) 		PF00294
(PfkB) 		5 ASP A  27
GLY A  52
GLY A  53
ASN A  57
ASP A 269
 None
None
None
None
NA  A 403 ( 4.7A)
 0.45A 1liiA-5c41A:
32.3		 1liiA-5c41A:
25.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cdf ATP SYNTHASE SUBUNIT
BETA

(Paracoccus
denitrificans) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 ILE E 132
ASP E 136
LEU E 149
GLY E 131
LEU E 160
 None
 1.07A 1liiA-5cdfE:
undetectable		 1liiA-5cdfE:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ce0 NATIVE CONSERPIN
WITH Z-VARIANT
(E342K)

(synthetic
construct) 		PF00079
(Serpin) 		5 ILE A 293
LEU A 156
GLY A 292
GLY A  45
LEU A  91
 None
 1.06A 1liiA-5ce0A:
undetectable		 1liiA-5ce0A:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5erb POLYKETIDE SYNTHASE

(Bacillus
amyloliquefaciens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ILE A 365
LEU A 372
GLY A 209
GLY A 208
THR A 369
 None
 1.05A 1liiA-5erbA:
undetectable		 1liiA-5erbA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ey7 FRUCTOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		5 ASP A  30
GLY A  44
GLY A  45
ASN A  49
ASP A 266
 None
 0.39A 1liiA-5ey7A:
27.1		 1liiA-5ey7A:
28.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gw4 T-COMPLEX PROTEIN 1
SUBUNIT GAMMA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 ILE g  98
LEU g 456
GLY g 101
THR g 455
LEU g  39
 None
 1.03A 1liiA-5gw4g:
undetectable		 1liiA-5gw4g:
21.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT DELTA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 ILE d  98
LEU d 454
GLY d 101
THR d 453
LEU d  39
 None
 1.02A 1liiA-5gw5d:
undetectable		 1liiA-5gw5d:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hy5 TRYPTOPHAN
6-HALOGENASE

(Streptomyces
toxytricini) 		PF04820
(Trp_halogenase) 		5 ILE A 352
LEU A  25
GLY A 353
THR A  21
LEU A 377
 None
None
FAD  A 601 ( 3.8A)
None
None
 1.03A 1liiA-5hy5A:
3.4		 1liiA-5hy5A:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lv9 THERMOPHILIC
TRYPTOPHAN
HALOGENASE

(Streptomyces
violaceusniger) 		PF04820
(Trp_halogenase) 		5 ILE A 348
LEU A  21
GLY A 349
THR A  17
LEU A 373
 None
 1.04A 1liiA-5lv9A:
3.6		 1liiA-5lv9A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mal LIPASE

(Streptomyces
rimosus) 		PF13472
(Lipase_GDSL_2) 		5 ILE A  79
ASP A  83
LEU A  65
GLY A  80
LEU A   7
 None
 1.05A 1liiA-5malA:
4.5		 1liiA-5malA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u6k DNA TOPOISOMERASE
2-BINDING PROTEIN 1

(Mus musculus) 		PF12738
(PTCB-BRCT) 		5 ASP A 624
LEU A 601
GLY A 661
THR A 617
LEU A 636
 None
 0.98A 1liiA-5u6kA:
undetectable		 1liiA-5u6kA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w8o HOMOSERINE
O-ACETYLTRANSFERASE

(Mycolicibacterium
hassiacum) 		PF00561
(Abhydrolase_1) 		5 ILE A 179
LEU A 305
GLY A 155
GLY A 160
LEU A 331
 None
 0.94A 1liiA-5w8oA:
undetectable		 1liiA-5w8oA:
23.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ysq TM0415

(Thermotoga
maritima) 		no annotation 5 ASP A  11
GLY A  25
GLY A  26
THR A  74
ASN A  78
 INS  A 301 (-2.7A)
INS  A 301 (-3.4A)
INS  A 301 (-3.8A)
None
INS  A 301 (-3.0A)
 0.88A 1liiA-5ysqA:
22.9		 1liiA-5ysqA:
12.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cn0 16S RRNA
(GUANINE(1405)-N(7))
-METHYLTRANSFERASE

(Proteus
mirabilis) 		no annotation 5 ILE A  64
LEU A 139
GLY A  62
GLY A  63
LEU A  69
 None
 1.07A 1liiA-6cn0A:
undetectable		 1liiA-6cn0A:
14.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cw5 RIBOKINASE

(Cryptococcus
neoformans) 		no annotation 5 ASP A  16
GLY A  41
GLY A  42
ASN A  46
ASP A 273
 GOL  A 400 (-2.8A)
GOL  A 400 (-3.5A)
GOL  A 400 (-3.3A)
GOL  A 400 (-3.3A)
None
 0.31A 1liiA-6cw5A:
32.1		 1liiA-6cw5A:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 5 ILE A  46
LEU A  98
GLY A  47
THR A 101
LEU A  87
 None
 1.05A 1liiA-6frvA:
undetectable		 1liiA-6frvA:
12.21